SCHEMBL3077205

SCHEMBL3077205

CN1CCN(CCCNC(=O)c2ccc3c(c2)[nH]c(=O)c2cccn23)CC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.75
RAD52 P43351 1/20 0.54
DRD2 P14416 1/20 0.51
AURKB Q96GD4 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.46
GLA P06280 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3074379 0.91 PARP1 (0.87) PARP1AURKBALDH1A1KMT2AKDM4E
SCHEMBL3073937 0.90 PARP1 (0.74) PARP1ALDH1A1KMT2AKDM4EGAA
SCHEMBL3338082 0.86 PARP1 (0.72) PARP1ALDH1A1KDM4EGAAHSD17B10
SCHEMBL3084923 0.86 PARP1 (1.00) PARP1AURKBALDH1A1KDM4EGAA
SCHEMBL3074505 0.83 PARP1 (0.83) PARP1AURKBALDH1A1KDM4EGAA
SCHEMBL3344406 0.83 PARP1 (0.83) PARP1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3068637 0.80 PARP1 (0.68) PARP1AURKBALDH1A1KMT2AKDM4E
SCHEMBL3083967 0.79 PARP1 (0.64) PARP1AURKBALDH1A1KMT2AKDM4E
SCHEMBL13056843 0.78 PARP1 (0.80) PARP1AURKBKMT2AHSD17B10HPGD
SCHEMBL3082100 0.76 PARP1 (0.71) PARP1AURKBALDH1A1KDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114948-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2014-06-25 EP disclosed
US-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
EP-2114948-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE Abbott Laboratories (US) 2009-11-11 EP disclosed
WO-2008082887-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PARP1 1/4885RAD52 241/4885DRD2 4450/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.